SCHEMBL5041316

SCHEMBL5041316

COc1c(N)oc2nc[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.37
BRAF P15056 3/20 0.37
BRD4 O60885 1/20 0.35
MEN1 O00255 1/20 0.34
CSNK2A2 P19784 1/20 0.34
RAB9A P51151 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
KMT2A Q03164 1/20 0.34
DYRK1A Q13627 1/20 0.34
CSNK2A3 Q8NEV1 1/20 0.34
LCK P06239 1/20 0.33
PI4KA P42356 2/20 0.32
PI4K2B Q8TCG2 2/20 0.32
PI4K2A Q9BTU6 2/20 0.32
PI4KB Q9UBF8 2/20 0.32
LMNA P02545 1/20 0.32
DRD3 P35462 1/20 0.32
XDH P47989 1/20 0.32
LRRK2 Q5S007 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5039539 0.70 CSNK2A2 (0.37) CSNK2A2CSNK2BCSNK2A1
SCHEMBL5046319 0.67 PSMB8 (0.31)
SCHEMBL5044393 0.66 BRAF (0.36) PDPK1BRAFBRD4LCKPI4KA
SCHEMBL5036872 0.66
SCHEMBL15918996 0.64 ALDH1A1 (0.37) PDPK1MEN1CSNK2A2RAB9ACSNK2B
SCHEMBL5041297 0.62 NUDT1 (0.35)
SCHEMBL5046574 0.60 MMP12 (0.41) PDPK1BRD4
SCHEMBL5040061 0.59 HSD17B10 (0.32)
SCHEMBL14723367 0.58 NQO2 (0.44) PDPK1BRAFBRD4MEN1CSNK2A2
SCHEMBL453220 0.58 PDPK1 (0.59) PDPK1BRAFPI4KAPI4K2BPI4K2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
EP-1715840-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-02 EP disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US disclosed
WO-2005077324-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B PDPK1 3477/4885BRAF 2549/4885BRD4 650/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.